data_19891 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A Mechanism for the cAMP-Dependent Auto-Inhibition of HCN ; _BMRB_accession_number 19891 _BMRB_flat_file_name bmr19891.str _Entry_type original _Submission_date 2014-04-03 _Accession_date 2014-04-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Akimoto Madoka . . 2 Zhang Zaiyong . . 3 Boulton Stephen . . 4 Selvaratnam Rajeevan . . 5 VanSchouwen Bryan . . 6 Gloyd Melanie . . 7 Accili Eric A. . 8 Lange Oliver F. . 9 Melacini Giuseppe . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 578 "13C chemical shifts" 459 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-06-17 original BMRB . stop_ _Original_release_date 2016-06-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A mechanism for the auto-inhibition of hyperpolarization-activated cyclic nucleotide-gated (HCN) channel opening and its relief by cAMP ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24878962 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Akimoto Madoka . . 2 Zhang Zaiyong . . 3 Boulton Stephen . . 4 Selvaratnam Rajeevan . . 5 VanSchouwen Bryan . . 6 Gloyd Melanie . . 7 Accili Eric A. . 8 Lange Oliver F. . 9 Melacini Giuseppe . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 289 _Journal_issue 32 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 22205 _Page_last 22220 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4' $Potassium-sodium_hyperpolarization-activated_cyclic_nucleotide-gated_channel_4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Potassium-sodium_hyperpolarization-activated_cyclic_nucleotide-gated_channel_4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4' _Molecular_mass 14985.341 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; NSEEIINFNCRKLVASMPLF ANADPNFVTSMLTKLRFEVF QPGDYIIREGTIGKKMYFIQ HGVVSVLTKGNKETKLADGS YFGEICLLTRGRRTASVRAD TYCRLYSLSVDNFNEVLEEY PMMRRAFETVA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 577 ASN 2 578 SER 3 579 GLU 4 580 GLU 5 581 ILE 6 582 ILE 7 583 ASN 8 584 PHE 9 585 ASN 10 586 CYS 11 587 ARG 12 588 LYS 13 589 LEU 14 590 VAL 15 591 ALA 16 592 SER 17 593 MET 18 594 PRO 19 595 LEU 20 596 PHE 21 597 ALA 22 598 ASN 23 599 ALA 24 600 ASP 25 601 PRO 26 602 ASN 27 603 PHE 28 604 VAL 29 605 THR 30 606 SER 31 607 MET 32 608 LEU 33 609 THR 34 610 LYS 35 611 LEU 36 612 ARG 37 613 PHE 38 614 GLU 39 615 VAL 40 616 PHE 41 617 GLN 42 618 PRO 43 619 GLY 44 620 ASP 45 621 TYR 46 622 ILE 47 623 ILE 48 624 ARG 49 625 GLU 50 626 GLY 51 627 THR 52 628 ILE 53 629 GLY 54 630 LYS 55 631 LYS 56 632 MET 57 633 TYR 58 634 PHE 59 635 ILE 60 636 GLN 61 637 HIS 62 638 GLY 63 639 VAL 64 640 VAL 65 641 SER 66 642 VAL 67 643 LEU 68 644 THR 69 645 LYS 70 646 GLY 71 647 ASN 72 648 LYS 73 649 GLU 74 650 THR 75 651 LYS 76 652 LEU 77 653 ALA 78 654 ASP 79 655 GLY 80 656 SER 81 657 TYR 82 658 PHE 83 659 GLY 84 660 GLU 85 661 ILE 86 662 CYS 87 663 LEU 88 664 LEU 89 665 THR 90 666 ARG 91 667 GLY 92 668 ARG 93 669 ARG 94 670 THR 95 671 ALA 96 672 SER 97 673 VAL 98 674 ARG 99 675 ALA 100 676 ASP 101 677 THR 102 678 TYR 103 679 CYS 104 680 ARG 105 681 LEU 106 682 TYR 107 683 SER 108 684 LEU 109 685 SER 110 686 VAL 111 687 ASP 112 688 ASN 113 689 PHE 114 690 ASN 115 691 GLU 116 692 VAL 117 693 LEU 118 694 GLU 119 695 GLU 120 696 TYR 121 697 PRO 122 698 MET 123 699 MET 124 700 ARG 125 701 ARG 126 702 ALA 127 703 PHE 128 704 GLU 129 705 THR 130 706 VAL 131 707 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value NCBI NP_005468 'Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4' . . . . . UNP Q9Y3Q4 'Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Potassium-sodium_hyperpolarization-activated_cyclic_nucleotide-gated_channel_4 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Potassium-sodium_hyperpolarization-activated_cyclic_nucleotide-gated_channel_4 'recombinant technology' . Escherichia coli . pET302NT-His stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 1 mM 'natural abundance' MES 20 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' EDTA 2 mM 'natural abundance' EGTA 2 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $Potassium-sodium_hyperpolarization-activated_cyclic_nucleotide-gated_channel_4 0.5 mM '[U-13C; U-15N]' D2O 95 % 'natural abundance' H2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 1 mM 'natural abundance' MES 20 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $Potassium-sodium_hyperpolarization-activated_cyclic_nucleotide-gated_channel_4 0.2 mM [U-15N] 'Pf1 phage' 6 mg/mL 'natural abundance' D2O 95 % 'natural abundance' H2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 1 mM 'natural abundance' MES 20 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $Potassium-sodium_hyperpolarization-activated_cyclic_nucleotide-gated_channel_4 0.2 mM [U-15N] D2O 95 % 'natural abundance' H2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.75 internal direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D H(CCO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 577 1 ASN HA H 4.79 0.02 1 2 577 1 ASN HB2 H 2.81 0.02 2 3 577 1 ASN HB3 H 2.84 0.02 2 4 577 1 ASN C C 175.3 0.15 1 5 577 1 ASN CA C 53.5 0.15 1 6 577 1 ASN CB C 39.1 0.15 1 7 578 2 SER H H 8.40 0.02 1 8 578 2 SER HA H 4.35 0.02 1 9 578 2 SER HB2 H 4.35 0.02 2 10 578 2 SER HB3 H 3.85 0.02 2 11 578 2 SER C C 174.7 0.15 1 12 578 2 SER CA C 58.1 0.19 1 13 578 2 SER CB C 63.5 0.18 1 14 578 2 SER N N 116.2 0.15 1 15 579 3 GLU H H 8.34 0.02 1 16 579 3 GLU HA H 4.18 0.02 1 17 579 3 GLU HB2 H 1.98 0.02 2 18 579 3 GLU HB3 H 1.98 0.02 2 19 579 3 GLU HG2 H 2.21 0.06 2 20 579 3 GLU HG3 H 2.23 0.02 2 21 579 3 GLU C C 176.6 0.15 1 22 579 3 GLU CA C 57.3 0.15 1 23 579 3 GLU CB C 30.1 0.15 1 24 579 3 GLU N N 122.0 0.15 1 25 580 4 GLU H H 8.16 0.02 1 26 580 4 GLU HA H 4.13 0.02 1 27 580 4 GLU HB2 H 1.92 0.10 2 28 580 4 GLU HB3 H 1.92 0.02 2 29 580 4 GLU HG2 H 2.15 0.02 2 30 580 4 GLU HG3 H 2.15 0.02 2 31 580 4 GLU C C 176.7 0.15 1 32 580 4 GLU CA C 57.1 0.15 1 33 580 4 GLU CB C 30.2 0.15 1 34 580 4 GLU CG C 36.2 0.15 1 35 580 4 GLU N N 121.0 0.15 1 36 581 5 ILE H H 7.96 0.02 1 37 581 5 ILE HA H 4.04 0.12 1 38 581 5 ILE HB H 1.83 0.03 1 39 581 5 ILE HG12 H 1.16 0.05 2 40 581 5 ILE HG13 H 1.39 0.03 2 41 581 5 ILE HG2 H 0.78 0.02 1 42 581 5 ILE HD1 H 0.78 0.02 1 43 581 5 ILE C C 176.4 0.15 1 44 581 5 ILE CA C 61.6 0.15 1 45 581 5 ILE CB C 38.3 0.15 1 46 581 5 ILE CG1 C 27.6 0.15 1 47 581 5 ILE CG2 C 17.6 0.15 1 48 581 5 ILE CD1 C 12.8 0.15 1 49 581 5 ILE N N 121.7 0.15 1 50 582 6 ILE H H 7.98 0.02 1 51 582 6 ILE HA H 3.99 0.03 1 52 582 6 ILE HB H 1.79 0.02 1 53 582 6 ILE HG12 H 1.42 0.02 2 54 582 6 ILE HG13 H 1.40 0.02 2 55 582 6 ILE HG2 H 0.77 0.02 1 56 582 6 ILE HD1 H 0.77 0.02 1 57 582 6 ILE C C 176.2 0.15 1 58 582 6 ILE CA C 61.7 0.26 1 59 582 6 ILE CB C 38.3 0.15 1 60 582 6 ILE CG1 C 27.7 0.15 1 61 582 6 ILE CG2 C 17.5 0.15 1 62 582 6 ILE CD1 C 12.8 0.15 1 63 582 6 ILE N N 124.1 0.15 1 64 583 7 ASN H H 8.31 0.02 1 65 583 7 ASN HA H 4.56 0.02 1 66 583 7 ASN HB2 H 2.74 0.02 2 67 583 7 ASN HB3 H 2.74 0.02 2 68 583 7 ASN C C 175.3 0.15 1 69 583 7 ASN CA C 53.9 0.15 1 70 583 7 ASN CB C 38.6 0.15 1 71 583 7 ASN N N 121.2 0.15 1 72 584 8 PHE H H 8.13 0.02 1 73 584 8 PHE HA H 4.35 0.03 1 74 584 8 PHE HB2 H 3.08 0.04 2 75 584 8 PHE HB3 H 3.06 0.02 2 76 584 8 PHE C C 175.6 0.15 1 77 584 8 PHE CA C 59.2 0.18 1 78 584 8 PHE CB C 39.5 0.15 1 79 584 8 PHE N N 121.0 0.15 1 80 585 9 ASN H H 8.08 0.02 1 81 585 9 ASN HA H 4.54 0.12 1 82 585 9 ASN HB2 H 2.78 0.02 2 83 585 9 ASN HB3 H 2.80 0.02 2 84 585 9 ASN C C 176.0 0.15 1 85 585 9 ASN CA C 53.2 0.15 1 86 585 9 ASN CB C 38.1 0.15 1 87 585 9 ASN N N 120.5 0.15 1 88 586 10 CYS H H 8.20 0.02 1 89 586 10 CYS HA H 3.79 0.02 1 90 586 10 CYS HB2 H 2.32 0.03 2 91 586 10 CYS HB3 H 2.32 0.02 2 92 586 10 CYS C C 175.1 0.15 1 93 586 10 CYS CA C 61.6 0.16 1 94 586 10 CYS CB C 27.2 0.18 1 95 586 10 CYS N N 119.8 0.15 1 96 587 11 ARG H H 8.01 0.02 1 97 587 11 ARG HA H 3.48 0.02 1 98 587 11 ARG HB2 H 1.67 0.02 2 99 587 11 ARG HB3 H 1.67 0.02 2 100 587 11 ARG HG2 H 1.61 0.02 2 101 587 11 ARG HG3 H 1.61 0.02 2 102 587 11 ARG HD2 H 3.45 0.02 2 103 587 11 ARG HD3 H 3.05 0.07 2 104 587 11 ARG C C 177.2 0.15 1 105 587 11 ARG CA C 60.5 0.15 1 106 587 11 ARG CB C 29.5 0.15 1 107 587 11 ARG CG C 29.2 0.15 1 108 587 11 ARG CD C 42.8 0.15 1 109 587 11 ARG N N 120.6 0.15 1 110 588 12 LYS H H 7.59 0.02 1 111 588 12 LYS HA H 3.90 0.22 1 112 588 12 LYS HB2 H 1.74 0.08 2 113 588 12 LYS HB3 H 1.66 0.02 2 114 588 12 LYS HG2 H 1.43 0.02 2 115 588 12 LYS HG3 H 1.43 0.02 2 116 588 12 LYS HD2 H 1.66 0.02 2 117 588 12 LYS HD3 H 1.43 0.02 2 118 588 12 LYS HE2 H 2.91 0.03 2 119 588 12 LYS HE3 H 2.96 0.02 2 120 588 12 LYS C C 178.6 0.15 1 121 588 12 LYS CA C 58.8 0.15 1 122 588 12 LYS CB C 32.4 0.15 1 123 588 12 LYS CG C 24.9 0.15 1 124 588 12 LYS CD C 29.3 0.15 1 125 588 12 LYS CE C 42.2 0.27 1 126 588 12 LYS N N 116.8 0.15 1 127 589 13 LEU H H 7.22 0.02 1 128 589 13 LEU HA H 4.16 0.02 1 129 589 13 LEU HB2 H 1.62 0.02 2 130 589 13 LEU HB3 H 1.62 0.02 2 131 589 13 LEU HD2 H 0.97 0.02 2 132 589 13 LEU C C 178.5 0.15 1 133 589 13 LEU CA C 57.8 0.20 1 134 589 13 LEU CB C 41.8 0.15 1 135 589 13 LEU CG C 26.9 0.15 1 136 589 13 LEU CD1 C 24.8 0.15 1 137 589 13 LEU CD2 C 24.6 0.15 1 138 589 13 LEU N N 118.7 0.15 1 139 590 14 VAL H H 7.32 0.02 1 140 590 14 VAL HA H 3.45 0.02 1 141 590 14 VAL HB H 1.54 0.02 1 142 590 14 VAL C C 176.9 0.15 1 143 590 14 VAL CA C 64.9 0.20 1 144 590 14 VAL CB C 31.5 0.15 1 145 590 14 VAL CG1 C 21.3 0.15 1 146 590 14 VAL CG2 C 21.1 0.15 1 147 590 14 VAL N N 115.8 0.15 1 148 591 15 ALA H H 7.87 0.02 1 149 591 15 ALA HA H 3.98 0.06 1 150 591 15 ALA HB H 1.40 0.02 1 151 591 15 ALA C C 177.4 0.15 1 152 591 15 ALA CA C 53.8 0.15 1 153 591 15 ALA CB C 18.4 0.17 1 154 591 15 ALA N N 117.7 0.15 1 155 592 16 SER H H 7.35 0.06 1 156 592 16 SER HA H 4.41 0.04 1 157 592 16 SER HB2 H 4.19 0.03 2 158 592 16 SER HB3 H 4.12 0.02 2 159 592 16 SER C C 174.2 0.15 1 160 592 16 SER CA C 59.5 0.24 1 161 592 16 SER CB C 64.0 0.15 1 162 592 16 SER N N 110.7 0.15 1 163 593 17 MET H H 7.71 0.02 1 164 593 17 MET CA C 54.1 0.15 1 165 593 17 MET CB C 33.7 0.15 1 166 593 17 MET N N 126.0 0.15 1 167 594 18 PRO HA H 4.18 0.02 1 168 594 18 PRO HB2 H 2.37 0.02 2 169 594 18 PRO HB3 H 1.95 0.02 2 170 594 18 PRO HG2 H 2.07 0.03 2 171 594 18 PRO HG3 H 2.07 0.02 2 172 594 18 PRO HD2 H 3.68 0.02 2 173 594 18 PRO HD3 H 3.70 0.02 2 174 594 18 PRO C C 177.8 0.15 1 175 594 18 PRO CA C 66.1 0.22 1 176 594 18 PRO CB C 32.1 0.15 1 177 594 18 PRO CG C 27.5 0.15 1 178 594 18 PRO CD C 51.6 0.15 1 179 595 19 LEU H H 7.38 0.02 1 180 595 19 LEU HA H 3.92 0.03 1 181 595 19 LEU HB2 H 0.88 0.02 2 182 595 19 LEU HB3 H 1.12 0.02 2 183 595 19 LEU HD2 H 0.46 0.05 2 184 595 19 LEU C C 177.2 0.15 1 185 595 19 LEU CA C 57.4 0.19 1 186 595 19 LEU CB C 42.4 0.15 1 187 595 19 LEU CG C 26.7 0.15 1 188 595 19 LEU CD1 C 24.1 0.15 1 189 595 19 LEU CD2 C 26.7 0.15 1 190 595 19 LEU N N 115.3 0.15 1 191 596 20 PHE H H 7.39 0.02 1 192 596 20 PHE HA H 4.75 0.02 1 193 596 20 PHE HB2 H 3.16 0.02 2 194 596 20 PHE HB3 H 3.14 0.02 2 195 596 20 PHE C C 176.9 0.15 1 196 596 20 PHE CA C 56.4 0.15 1 197 596 20 PHE CB C 39.2 0.15 1 198 596 20 PHE N N 112.1 0.15 1 199 597 21 ALA H H 7.76 0.02 1 200 597 21 ALA HA H 4.18 0.02 1 201 597 21 ALA HB H 1.45 0.02 1 202 597 21 ALA C C 178.4 0.15 1 203 597 21 ALA CA C 55.2 0.15 1 204 597 21 ALA CB C 19.0 0.15 1 205 597 21 ALA N N 124.3 0.15 1 206 598 22 ASN H H 8.24 0.02 1 207 598 22 ASN HA H 4.83 0.02 1 208 598 22 ASN HB2 H 2.91 0.02 2 209 598 22 ASN HB3 H 2.65 0.02 2 210 598 22 ASN C C 174.5 0.15 1 211 598 22 ASN CA C 52.5 0.15 1 212 598 22 ASN CB C 38.9 0.15 1 213 598 22 ASN N N 113.3 0.15 1 214 599 23 ALA H H 7.17 0.02 1 215 599 23 ALA HA H 4.18 0.02 1 216 599 23 ALA HB H 1.56 0.02 1 217 599 23 ALA C C 176.3 0.15 1 218 599 23 ALA CA C 51.6 0.23 1 219 599 23 ALA CB C 20.7 0.15 1 220 599 23 ALA N N 121.0 0.15 1 221 600 24 ASP H H 7.50 0.02 1 222 600 24 ASP CA C 52.5 0.16 1 223 600 24 ASP N N 122.0 0.15 1 224 601 25 PRO HA H 4.18 0.02 1 225 601 25 PRO HB2 H 2.34 0.03 2 226 601 25 PRO HB3 H 1.94 0.02 2 227 601 25 PRO HG2 H 2.01 0.07 2 228 601 25 PRO HG3 H 2.03 0.02 2 229 601 25 PRO HD3 H 2.81 0.02 2 230 601 25 PRO C C 179.1 0.15 1 231 601 25 PRO CA C 65.2 0.15 1 232 601 25 PRO CB C 32.4 0.15 1 233 601 25 PRO CG C 27.4 0.15 1 234 601 25 PRO CD C 51.1 0.15 1 235 602 26 ASN H H 8.74 0.02 1 236 602 26 ASN HA H 4.44 0.02 1 237 602 26 ASN HB2 H 3.03 0.02 2 238 602 26 ASN HB3 H 3.03 0.02 2 239 602 26 ASN C C 177.4 0.15 1 240 602 26 ASN CA C 56.2 0.15 1 241 602 26 ASN CB C 37.6 0.16 1 242 602 26 ASN N N 116.9 0.23 1 243 603 27 PHE H H 7.35 0.02 1 244 603 27 PHE HA H 3.28 0.02 1 245 603 27 PHE HB2 H 2.16 0.02 2 246 603 27 PHE HB3 H 2.16 0.02 2 247 603 27 PHE C C 176.1 0.15 1 248 603 27 PHE CA C 60.4 0.18 1 249 603 27 PHE CB C 38.6 0.15 1 250 603 27 PHE N N 123.2 0.15 1 251 604 28 VAL H H 7.46 0.02 1 252 604 28 VAL HA H 2.92 0.02 1 253 604 28 VAL HB H 2.08 0.02 1 254 604 28 VAL HG1 H 1.05 0.02 2 255 604 28 VAL HG2 H 0.66 0.02 2 256 604 28 VAL C C 177.0 0.15 1 257 604 28 VAL CA C 67.5 0.18 1 258 604 28 VAL CB C 31.2 0.20 1 259 604 28 VAL CG1 C 20.7 0.15 1 260 604 28 VAL CG2 C 23.5 0.15 1 261 604 28 VAL N N 118.7 0.15 1 262 605 29 THR H H 8.21 0.02 1 263 605 29 THR HA H 3.59 0.02 1 264 605 29 THR HB H 3.59 0.02 1 265 605 29 THR HG2 H 1.15 0.02 1 266 605 29 THR C C 176.5 0.15 1 267 605 29 THR CA C 67.0 0.20 1 268 605 29 THR CB C 68.5 0.15 1 269 605 29 THR N N 115.9 0.15 1 270 606 30 SER H H 7.85 0.02 1 271 606 30 SER HA H 4.16 0.02 1 272 606 30 SER HB2 H 3.92 0.02 2 273 606 30 SER HB3 H 3.92 0.03 2 274 606 30 SER C C 176.7 0.15 1 275 606 30 SER CA C 62.2 0.15 1 276 606 30 SER CB C 63.0 0.15 1 277 606 30 SER N N 116.5 0.15 1 278 607 31 MET H H 8.12 0.02 1 279 607 31 MET HA H 3.82 0.05 1 280 607 31 MET HB2 H 2.02 0.10 2 281 607 31 MET HB3 H 1.56 0.02 2 282 607 31 MET HG2 H 2.02 0.02 2 283 607 31 MET HG3 H 1.61 0.02 2 284 607 31 MET C C 178.4 0.15 1 285 607 31 MET CA C 57.9 0.23 1 286 607 31 MET CB C 31.2 0.21 1 287 607 31 MET N N 122.7 0.15 1 288 608 32 LEU H H 8.00 0.02 1 289 608 32 LEU HA H 3.66 0.07 1 290 608 32 LEU HB2 H 1.87 0.02 2 291 608 32 LEU HB3 H 1.35 0.02 2 292 608 32 LEU HD1 H 0.60 0.02 2 293 608 32 LEU HD2 H 0.47 0.02 2 294 608 32 LEU C C 179.7 0.15 1 295 608 32 LEU CA C 57.8 0.22 1 296 608 32 LEU CB C 40.8 0.15 1 297 608 32 LEU CG C 25.4 0.15 1 298 608 32 LEU CD1 C 23.2 0.15 1 299 608 32 LEU CD2 C 25.4 0.15 1 300 608 32 LEU N N 116.2 0.15 1 301 609 33 THR H H 7.25 0.02 1 302 609 33 THR HA H 4.34 0.02 1 303 609 33 THR HB H 4.22 0.03 1 304 609 33 THR HG2 H 1.39 0.02 1 305 609 33 THR C C 175.4 0.15 1 306 609 33 THR CA C 63.9 0.15 1 307 609 33 THR CB C 69.5 0.15 1 308 609 33 THR CG2 C 21.6 0.15 1 309 609 33 THR N N 107.0 0.15 1 310 610 34 LYS H H 7.64 0.02 1 311 610 34 LYS HA H 4.34 0.02 1 312 610 34 LYS HB2 H 1.88 0.02 2 313 610 34 LYS HB3 H 1.88 0.02 2 314 610 34 LYS HG2 H 1.19 0.02 2 315 610 34 LYS HG3 H 1.48 0.02 2 316 610 34 LYS HD3 H 1.48 0.02 2 317 610 34 LYS HE2 H 2.74 0.02 2 318 610 34 LYS HE3 H 3.01 0.02 2 319 610 34 LYS C C 176.6 0.15 1 320 610 34 LYS CA C 53.5 0.15 1 321 610 34 LYS CB C 32.2 0.15 1 322 610 34 LYS CG C 23.9 0.15 1 323 610 34 LYS CE C 42.3 0.21 1 324 610 34 LYS N N 117.3 0.15 1 325 611 35 LEU H H 6.95 0.02 1 326 611 35 LEU HA H 4.79 0.02 1 327 611 35 LEU HB2 H 1.79 0.02 2 328 611 35 LEU HB3 H 1.42 0.02 2 329 611 35 LEU HG H 1.42 0.02 1 330 611 35 LEU C C 177.8 0.15 1 331 611 35 LEU CA C 55.5 0.20 1 332 611 35 LEU CB C 42.9 0.15 1 333 611 35 LEU CG C 25.9 0.15 1 334 611 35 LEU CD1 C 23.6 0.15 1 335 611 35 LEU CD2 C 25.9 0.15 1 336 611 35 LEU N N 119.2 0.15 1 337 612 36 ARG H H 9.08 0.02 1 338 612 36 ARG HA H 4.92 0.02 1 339 612 36 ARG HB2 H 1.87 0.05 2 340 612 36 ARG HB3 H 1.87 0.02 2 341 612 36 ARG HG2 H 1.87 0.02 2 342 612 36 ARG HG3 H 1.87 0.02 2 343 612 36 ARG HD2 H 3.22 0.02 2 344 612 36 ARG HD3 H 3.20 0.02 2 345 612 36 ARG C C 174.9 0.15 1 346 612 36 ARG CA C 54.0 0.15 1 347 612 36 ARG CB C 31.8 0.15 1 348 612 36 ARG CG C 27.1 0.15 1 349 612 36 ARG CD C 43.3 0.15 1 350 612 36 ARG N N 122.7 0.15 1 351 613 37 PHE H H 8.82 0.02 1 352 613 37 PHE HA H 4.69 0.04 1 353 613 37 PHE HB2 H 2.92 0.02 2 354 613 37 PHE HB3 H 2.92 0.02 2 355 613 37 PHE C C 175.1 0.15 1 356 613 37 PHE CA C 57.7 0.22 1 357 613 37 PHE CB C 40.1 0.15 1 358 613 37 PHE N N 126.3 0.15 1 359 614 38 GLU H H 8.77 0.02 1 360 614 38 GLU HA H 4.35 0.02 1 361 614 38 GLU C C 172.8 0.15 1 362 614 38 GLU CA C 55.9 0.15 1 363 614 38 GLU CB C 29.9 0.15 1 364 614 38 GLU N N 128.9 0.15 1 365 615 39 VAL H H 7.59 0.02 1 366 615 39 VAL HA H 4.97 0.02 1 367 615 39 VAL HB H 1.69 0.02 1 368 615 39 VAL HG2 H 0.66 0.02 2 369 615 39 VAL C C 175.3 0.15 1 370 615 39 VAL CA C 58.9 0.15 1 371 615 39 VAL CB C 34.5 0.15 1 372 615 39 VAL CG1 C 22.3 0.15 1 373 615 39 VAL CG2 C 20.5 0.15 1 374 615 39 VAL N N 116.2 0.15 1 375 616 40 PHE H H 8.19 0.02 1 376 616 40 PHE HA H 4.59 0.02 1 377 616 40 PHE HB2 H 3.07 0.02 2 378 616 40 PHE HB3 H 2.17 0.02 2 379 616 40 PHE C C 173.3 0.15 1 380 616 40 PHE CA C 57.1 0.15 1 381 616 40 PHE CB C 43.6 0.15 1 382 616 40 PHE N N 121.1 0.15 1 383 617 41 GLN H H 8.84 0.02 1 384 617 41 GLN N N 120.1 0.15 1 385 618 42 PRO HB2 H 1.81 0.02 2 386 618 42 PRO HB3 H 1.81 0.02 2 387 618 42 PRO HG2 H 1.81 0.02 2 388 618 42 PRO HG3 H 1.81 0.02 2 389 618 42 PRO HD2 H 3.50 0.02 2 390 618 42 PRO HD3 H 3.50 0.02 2 391 618 42 PRO C C 177.7 0.15 1 392 618 42 PRO CA C 63.8 0.20 1 393 618 42 PRO CB C 31.1 0.15 1 394 618 42 PRO CG C 27.7 0.15 1 395 618 42 PRO CD C 49.9 0.15 1 396 619 43 GLY H H 8.94 0.02 1 397 619 43 GLY HA2 H 4.35 0.02 2 398 619 43 GLY HA3 H 3.40 0.02 2 399 619 43 GLY C C 174.6 0.15 1 400 619 43 GLY CA C 44.9 0.15 1 401 619 43 GLY N N 113.6 0.15 1 402 620 44 ASP H H 8.15 0.02 1 403 620 44 ASP HA H 4.55 0.02 1 404 620 44 ASP HB2 H 2.69 0.10 2 405 620 44 ASP HB3 H 3.00 0.02 2 406 620 44 ASP C C 176.5 0.15 1 407 620 44 ASP CA C 55.1 0.15 1 408 620 44 ASP CB C 41.8 0.17 1 409 620 44 ASP N N 121.7 0.15 1 410 621 45 TYR H H 9.00 0.02 1 411 621 45 TYR HA H 4.37 0.02 1 412 621 45 TYR HB2 H 2.39 0.02 2 413 621 45 TYR HB3 H 2.88 0.02 2 414 621 45 TYR C C 175.4 0.15 1 415 621 45 TYR CA C 59.6 0.17 1 416 621 45 TYR CB C 38.1 0.15 1 417 621 45 TYR N N 120.3 0.15 1 418 622 46 ILE H H 8.43 0.02 1 419 622 46 ILE HA H 3.23 0.02 1 420 622 46 ILE HG2 H 0.63 0.02 1 421 622 46 ILE C C 176.1 0.15 1 422 622 46 ILE CA C 63.3 0.19 1 423 622 46 ILE CB C 39.5 0.15 1 424 622 46 ILE CG2 C 16.3 0.15 1 425 622 46 ILE N N 127.0 0.15 1 426 623 47 ILE H H 7.41 0.02 1 427 623 47 ILE HA H 4.43 0.06 1 428 623 47 ILE HB H 1.55 0.02 1 429 623 47 ILE HG12 H 1.05 0.02 2 430 623 47 ILE HG13 H 1.05 0.02 2 431 623 47 ILE C C 175.2 0.15 1 432 623 47 ILE CA C 60.2 0.15 1 433 623 47 ILE CB C 43.0 0.15 1 434 623 47 ILE CG2 C 18.2 0.15 1 435 623 47 ILE CD1 C 14.2 0.15 1 436 623 47 ILE N N 113.6 0.15 1 437 624 48 ARG H H 8.58 0.02 1 438 624 48 ARG HA H 4.78 0.02 1 439 624 48 ARG HB3 H 1.55 0.02 2 440 624 48 ARG HG2 H 1.55 0.05 2 441 624 48 ARG HG3 H 1.55 0.02 2 442 624 48 ARG HD2 H 2.93 0.07 2 443 624 48 ARG HD3 H 2.93 0.02 2 444 624 48 ARG C C 175.4 0.15 1 445 624 48 ARG CA C 54.3 0.15 1 446 624 48 ARG CB C 32.1 0.23 1 447 624 48 ARG CD C 43.0 0.15 1 448 624 48 ARG N N 124.7 0.15 1 449 625 49 GLU H H 8.55 0.02 1 450 625 49 GLU HA H 3.52 0.02 1 451 625 49 GLU HB2 H 2.04 0.02 2 452 625 49 GLU HB3 H 2.04 0.02 2 453 625 49 GLU C C 176.0 0.15 1 454 625 49 GLU CA C 57.8 0.15 1 455 625 49 GLU CB C 29.5 0.15 1 456 625 49 GLU CG C 35.2 0.15 1 457 625 49 GLU N N 126.4 0.15 1 458 626 50 GLY H H 8.68 0.02 1 459 626 50 GLY HA2 H 3.42 0.02 2 460 626 50 GLY HA3 H 3.95 0.02 2 461 626 50 GLY CA C 45.0 0.15 1 462 626 50 GLY N N 111.2 0.15 1 463 627 51 THR HA H 4.38 0.02 1 464 627 51 THR HB H 4.42 0.02 1 465 627 51 THR HG2 H 1.24 0.02 1 466 627 51 THR C C 173.9 0.15 1 467 627 51 THR CB C 71.8 0.20 1 468 628 52 ILE H H 8.68 0.02 1 469 628 52 ILE HA H 4.16 0.05 1 470 628 52 ILE HB H 1.84 0.02 1 471 628 52 ILE HG12 H 0.83 0.02 2 472 628 52 ILE HG13 H 0.83 0.02 2 473 628 52 ILE HG2 H 0.83 0.02 1 474 628 52 ILE HD1 H 0.83 0.02 1 475 628 52 ILE C C 177.0 0.15 1 476 628 52 ILE CA C 61.1 0.15 1 477 628 52 ILE CB C 37.4 0.15 1 478 628 52 ILE CG2 C 17.2 0.15 1 479 628 52 ILE CD1 C 11.9 0.15 1 480 628 52 ILE N N 122.1 0.15 1 481 629 53 GLY H H 8.64 0.02 1 482 629 53 GLY HA2 H 4.35 0.02 2 483 629 53 GLY HA3 H 4.32 0.02 2 484 629 53 GLY C C 172.8 0.15 1 485 629 53 GLY N N 115.2 0.15 1 486 630 54 LYS H H 7.61 0.02 1 487 630 54 LYS HA H 4.56 0.02 1 488 630 54 LYS HB2 H 1.82 0.08 2 489 630 54 LYS HB3 H 2.12 0.03 2 490 630 54 LYS HG2 H 1.44 0.02 2 491 630 54 LYS HG3 H 1.42 0.02 2 492 630 54 LYS HD2 H 1.71 0.02 2 493 630 54 LYS HD3 H 1.74 0.02 2 494 630 54 LYS HE2 H 2.98 0.02 2 495 630 54 LYS HE3 H 3.00 0.02 2 496 630 54 LYS C C 172.8 0.15 1 497 630 54 LYS CA C 55.9 0.20 1 498 630 54 LYS CB C 34.9 0.15 1 499 630 54 LYS CG C 24.9 0.15 1 500 630 54 LYS CD C 29.1 0.15 1 501 630 54 LYS CE C 42.2 0.15 1 502 630 54 LYS N N 116.2 0.15 1 503 631 55 LYS H H 7.61 0.02 1 504 631 55 LYS HA H 4.56 0.02 1 505 631 55 LYS HB2 H 2.14 0.02 2 506 631 55 LYS HB3 H 2.12 0.02 2 507 631 55 LYS HG2 H 1.44 0.02 2 508 631 55 LYS HG3 H 1.42 0.02 2 509 631 55 LYS HD2 H 1.71 0.02 2 510 631 55 LYS HD3 H 1.74 0.02 2 511 631 55 LYS HE2 H 2.98 0.02 2 512 631 55 LYS HE3 H 3.00 0.02 2 513 631 55 LYS C C 175.5 0.15 1 514 631 55 LYS CA C 55.9 0.15 1 515 631 55 LYS CB C 34.9 0.15 1 516 631 55 LYS CG C 24.9 0.15 1 517 631 55 LYS CD C 29.1 0.15 1 518 631 55 LYS CE C 42.2 0.15 1 519 631 55 LYS N N 116.2 0.15 1 520 632 56 MET H H 7.33 0.02 1 521 632 56 MET HA H 4.56 0.02 1 522 632 56 MET HB2 H 2.12 0.04 2 523 632 56 MET HB3 H 2.14 0.05 2 524 632 56 MET C C 174.1 0.15 1 525 632 56 MET CA C 55.9 0.15 1 526 632 56 MET CB C 34.9 0.15 1 527 632 56 MET N N 117.6 0.15 1 528 633 57 TYR H H 8.38 0.02 1 529 633 57 TYR HA H 4.95 0.02 1 530 633 57 TYR HB2 H 1.91 0.02 2 531 633 57 TYR HB3 H 1.91 0.02 2 532 633 57 TYR C C 173.1 0.15 1 533 633 57 TYR CA C 57.3 0.15 1 534 633 57 TYR CB C 43.3 0.15 1 535 633 57 TYR N N 118.2 0.15 1 536 634 58 PHE H H 9.36 0.02 1 537 634 58 PHE HA H 4.88 0.06 1 538 634 58 PHE HB2 H 3.02 0.02 2 539 634 58 PHE HB3 H 3.00 0.02 2 540 634 58 PHE C C 176.0 0.15 1 541 634 58 PHE CA C 56.4 0.24 1 542 634 58 PHE CB C 42.2 0.15 1 543 634 58 PHE N N 117.1 0.15 1 544 635 59 ILE H H 9.20 0.02 1 545 635 59 ILE HA H 4.13 0.04 1 546 635 59 ILE HB H 1.92 0.02 1 547 635 59 ILE C C 175.3 0.15 1 548 635 59 ILE CA C 62.1 0.22 1 549 635 59 ILE CB C 38.0 0.15 1 550 635 59 ILE CG2 C 17.1 0.15 1 551 635 59 ILE CD1 C 17.1 0.15 1 552 635 59 ILE N N 121.5 0.15 1 553 636 60 GLN H H 8.54 0.02 1 554 636 60 GLN HA H 4.41 0.02 1 555 636 60 GLN HB2 H 2.29 0.04 2 556 636 60 GLN HB3 H 1.73 0.11 2 557 636 60 GLN HG2 H 2.20 0.02 2 558 636 60 GLN HG3 H 1.95 0.02 2 559 636 60 GLN C C 175.7 0.15 1 560 636 60 GLN CA C 58.8 0.15 1 561 636 60 GLN CB C 28.6 0.15 1 562 636 60 GLN CG C 34.2 0.15 1 563 636 60 GLN N N 130.5 0.15 1 564 637 61 HIS H H 8.01 0.02 1 565 637 61 HIS HA H 4.92 0.02 1 566 637 61 HIS HB2 H 3.20 0.16 2 567 637 61 HIS HB3 H 2.94 0.02 2 568 637 61 HIS C C 172.3 0.15 1 569 637 61 HIS CA C 55.0 0.15 1 570 637 61 HIS CB C 32.7 0.15 1 571 637 61 HIS N N 112.8 0.15 1 572 638 62 GLY H H 8.31 0.02 1 573 638 62 GLY HA2 H 4.64 0.02 2 574 638 62 GLY HA3 H 3.42 0.02 2 575 638 62 GLY C C 169.0 0.15 1 576 638 62 GLY CA C 44.4 0.19 1 577 638 62 GLY N N 116.3 0.15 1 578 639 63 VAL H H 7.14 0.02 1 579 639 63 VAL HA H 4.90 0.02 1 580 639 63 VAL HB H 1.72 0.02 1 581 639 63 VAL HG1 H 0.87 0.03 2 582 639 63 VAL HG2 H 0.87 0.02 2 583 639 63 VAL C C 175.8 0.15 1 584 639 63 VAL CA C 60.9 0.18 1 585 639 63 VAL CB C 35.0 0.15 1 586 639 63 VAL CG1 C 21.3 0.15 1 587 639 63 VAL CG2 C 21.5 0.15 1 588 639 63 VAL N N 115.7 0.15 1 589 640 64 VAL H H 8.87 0.02 1 590 640 64 VAL HA H 4.87 0.02 1 591 640 64 VAL HB H 1.41 0.02 1 592 640 64 VAL HG1 H 0.42 0.02 2 593 640 64 VAL HG2 H 0.15 0.02 2 594 640 64 VAL C C 173.7 0.15 1 595 640 64 VAL CA C 57.8 0.18 1 596 640 64 VAL CB C 33.5 0.15 1 597 640 64 VAL CG1 C 19.7 0.15 1 598 640 64 VAL CG2 C 21.5 0.15 1 599 640 64 VAL N N 118.0 0.15 1 600 641 65 SER H H 8.83 0.02 1 601 641 65 SER HA H 4.96 0.03 1 602 641 65 SER HB3 H 3.42 0.02 2 603 641 65 SER C C 172.9 0.15 1 604 641 65 SER CA C 57.9 0.19 1 605 641 65 SER CB C 65.3 0.15 1 606 641 65 SER N N 115.6 0.15 1 607 642 66 VAL H H 9.07 0.02 1 608 642 66 VAL HA H 4.24 0.06 1 609 642 66 VAL C C 176.1 0.15 1 610 642 66 VAL CA C 61.8 0.17 1 611 642 66 VAL CB C 31.7 0.15 1 612 642 66 VAL CG1 C 20.9 0.15 1 613 642 66 VAL CG2 C 20.7 0.15 1 614 642 66 VAL N N 125.6 0.15 1 615 643 67 LEU H H 8.99 0.02 1 616 643 67 LEU HA H 4.94 0.02 1 617 643 67 LEU HB2 H 1.61 0.02 2 618 643 67 LEU HB3 H 1.59 0.02 2 619 643 67 LEU HG H 1.51 0.02 1 620 643 67 LEU HD2 H 0.76 0.02 2 621 643 67 LEU C C 176.5 0.15 1 622 643 67 LEU CA C 54.3 0.16 1 623 643 67 LEU CB C 42.7 0.15 1 624 643 67 LEU CG C 26.9 0.15 1 625 643 67 LEU CD1 C 25.1 0.15 1 626 643 67 LEU CD2 C 24.9 0.15 1 627 643 67 LEU N N 130.3 0.15 1 628 644 68 THR H H 8.40 0.02 1 629 644 68 THR HA H 4.66 0.03 1 630 644 68 THR HB H 4.21 0.02 1 631 644 68 THR HG2 H 1.17 0.02 1 632 644 68 THR C C 174.4 0.15 1 633 644 68 THR CA C 60.6 0.15 1 634 644 68 THR CB C 71.1 0.15 1 635 644 68 THR CG2 C 22.0 0.15 1 636 644 68 THR N N 117.3 0.15 1 637 645 69 LYS H H 8.69 0.02 1 638 645 69 LYS HA H 4.10 0.02 1 639 645 69 LYS HB2 H 1.83 0.02 2 640 645 69 LYS HB3 H 1.74 0.02 2 641 645 69 LYS HG2 H 1.74 0.02 2 642 645 69 LYS HG3 H 1.74 0.02 2 643 645 69 LYS HD2 H 1.74 0.02 2 644 645 69 LYS HD3 H 1.74 0.02 2 645 645 69 LYS HE2 H 2.96 0.02 2 646 645 69 LYS HE3 H 2.98 0.02 2 647 645 69 LYS C C 177.4 0.15 1 648 645 69 LYS CA C 58.0 0.15 1 649 645 69 LYS CB C 32.2 0.15 1 650 645 69 LYS CG C 24.6 0.15 1 651 645 69 LYS CD C 29.1 0.15 1 652 645 69 LYS CE C 42.2 0.15 1 653 645 69 LYS N N 123.4 0.15 1 654 646 70 GLY H H 8.64 0.02 1 655 646 70 GLY HA2 H 3.82 0.12 2 656 646 70 GLY HA3 H 3.79 0.20 2 657 646 70 GLY C C 174.0 0.15 1 658 646 70 GLY CA C 45.5 0.15 1 659 646 70 GLY N N 110.8 0.15 1 660 647 71 ASN H H 8.10 0.02 1 661 647 71 ASN HA H 4.74 0.02 1 662 647 71 ASN HB2 H 2.79 0.02 2 663 647 71 ASN HB3 H 2.76 0.02 2 664 647 71 ASN C C 174.6 0.15 1 665 647 71 ASN CA C 52.9 0.15 1 666 647 71 ASN CB C 39.6 0.15 1 667 647 71 ASN N N 117.1 0.15 1 668 648 72 LYS H H 7.87 0.02 1 669 648 72 LYS HA H 4.34 0.02 1 670 648 72 LYS HB2 H 1.74 0.02 2 671 648 72 LYS HB3 H 1.74 0.02 2 672 648 72 LYS HG2 H 1.66 0.02 2 673 648 72 LYS HG3 H 1.66 0.02 2 674 648 72 LYS HD2 H 1.43 0.02 2 675 648 72 LYS HD3 H 1.43 0.02 2 676 648 72 LYS HE2 H 2.97 0.02 2 677 648 72 LYS HE3 H 2.95 0.02 2 678 648 72 LYS C C 176.1 0.15 1 679 648 72 LYS CA C 56.2 0.15 1 680 648 72 LYS CB C 33.0 0.15 1 681 648 72 LYS CG C 24.6 0.15 1 682 648 72 LYS CD C 28.9 0.15 1 683 648 72 LYS CE C 42.2 0.15 1 684 648 72 LYS N N 120.1 0.15 1 685 649 73 GLU H H 8.64 0.02 1 686 649 73 GLU HA H 4.80 0.02 1 687 649 73 GLU HB2 H 2.06 0.02 2 688 649 73 GLU HB3 H 1.87 0.02 2 689 649 73 GLU HG2 H 2.06 0.02 2 690 649 73 GLU HG3 H 2.06 0.02 2 691 649 73 GLU C C 176.1 0.15 1 692 649 73 GLU CA C 56.2 0.15 1 693 649 73 GLU CB C 31.7 0.15 1 694 649 73 GLU CG C 36.3 0.15 1 695 649 73 GLU N N 124.3 0.15 1 696 650 74 THR H H 8.28 0.02 1 697 650 74 THR HA H 4.51 0.02 1 698 650 74 THR HB H 4.00 0.02 1 699 650 74 THR HG2 H 1.09 0.02 1 700 650 74 THR C C 172.8 0.15 1 701 650 74 THR CA C 61.3 0.15 1 702 650 74 THR CB C 71.3 0.15 1 703 650 74 THR CG2 C 21.2 0.15 1 704 650 74 THR N N 118.7 0.15 1 705 651 75 LYS H H 8.45 0.02 1 706 651 75 LYS HA H 5.41 0.02 1 707 651 75 LYS HG2 H 1.37 0.02 2 708 651 75 LYS HG3 H 1.39 0.02 2 709 651 75 LYS HE2 H 3.01 0.02 2 710 651 75 LYS HE3 H 2.76 0.02 2 711 651 75 LYS C C 176.4 0.15 1 712 651 75 LYS CA C 54.7 0.15 1 713 651 75 LYS CB C 34.7 0.15 1 714 651 75 LYS CG C 24.9 0.15 1 715 651 75 LYS CD C 28.8 0.15 1 716 651 75 LYS CE C 42.4 0.15 1 717 651 75 LYS N N 123.5 0.15 1 718 652 76 LEU H H 8.57 0.02 1 719 652 76 LEU HA H 4.55 0.02 1 720 652 76 LEU HB2 H 1.26 0.02 2 721 652 76 LEU HB3 H 1.30 0.02 2 722 652 76 LEU HD1 H 0.74 0.02 2 723 652 76 LEU C C 174.2 0.15 1 724 652 76 LEU CA C 53.7 0.19 1 725 652 76 LEU CB C 45.6 0.15 1 726 652 76 LEU CG C 26.6 0.15 1 727 652 76 LEU CD1 C 22.8 0.15 1 728 652 76 LEU CD2 C 26.4 0.16 1 729 652 76 LEU N N 122.8 0.15 1 730 653 77 ALA H H 8.10 0.02 1 731 653 77 ALA HB H 1.42 0.03 1 732 653 77 ALA C C 176.9 0.15 1 733 653 77 ALA CA C 50.4 0.15 1 734 653 77 ALA CB C 23.0 0.15 1 735 653 77 ALA N N 122.9 0.15 1 736 654 78 ASP H H 8.71 0.02 1 737 654 78 ASP HA H 3.79 0.02 1 738 654 78 ASP HB2 H 2.71 0.02 2 739 654 78 ASP HB3 H 2.69 0.02 2 740 654 78 ASP C C 176.3 0.15 1 741 654 78 ASP CA C 56.3 0.15 1 742 654 78 ASP CB C 40.1 0.15 1 743 654 78 ASP N N 115.2 0.15 1 744 655 79 GLY H H 9.06 0.02 1 745 655 79 GLY HA2 H 3.67 0.15 2 746 655 79 GLY HA3 H 4.48 0.18 2 747 655 79 GLY C C 174.6 0.15 1 748 655 79 GLY CA C 45.3 0.15 1 749 655 79 GLY N N 112.8 0.15 1 750 656 80 SER H H 8.10 0.02 1 751 656 80 SER HA H 4.79 0.02 1 752 656 80 SER HB2 H 4.04 0.02 2 753 656 80 SER HB3 H 4.04 0.02 2 754 656 80 SER C C 170.6 0.15 1 755 656 80 SER CA C 58.7 0.15 1 756 656 80 SER CB C 64.7 0.15 1 757 656 80 SER N N 115.8 0.15 1 758 657 81 TYR H H 7.51 0.02 1 759 657 81 TYR HA H 5.46 0.02 1 760 657 81 TYR HB2 H 2.49 0.02 2 761 657 81 TYR HB3 H 2.83 0.02 2 762 657 81 TYR C C 173.4 0.15 1 763 657 81 TYR CA C 55.0 0.15 1 764 657 81 TYR CB C 41.7 0.15 1 765 657 81 TYR N N 115.4 0.15 1 766 658 82 PHE H H 8.59 0.02 1 767 658 82 PHE CA C 57.0 0.17 1 768 658 82 PHE CB C 39.3 0.15 1 769 658 82 PHE N N 111.5 0.15 1 770 659 83 GLY H H 9.07 0.02 1 771 659 83 GLY HA2 H 4.35 0.02 2 772 659 83 GLY HA3 H 4.32 0.02 2 773 659 83 GLY C C 172.8 0.15 1 774 659 83 GLY N N 107.5 0.15 1 775 664 88 LEU H H 8.38 0.02 1 776 664 88 LEU HA H 4.47 0.02 1 777 664 88 LEU HB2 H 1.68 0.02 2 778 664 88 LEU HB3 H 1.70 0.02 2 779 664 88 LEU HG H 1.59 0.02 1 780 664 88 LEU HD2 H 0.77 0.02 2 781 664 88 LEU C C 177.6 0.15 1 782 664 88 LEU CA C 55.1 0.19 1 783 664 88 LEU CB C 43.6 0.15 1 784 664 88 LEU CG C 27.0 0.15 1 785 664 88 LEU CD1 C 22.8 0.15 1 786 664 88 LEU CD2 C 25.2 0.15 1 787 664 88 LEU N N 118.2 0.15 1 788 665 89 THR H H 7.71 0.02 1 789 665 89 THR HA H 4.06 0.02 1 790 665 89 THR HB H 4.06 0.20 1 791 665 89 THR HG2 H 1.11 0.02 1 792 665 89 THR C C 173.6 0.15 1 793 665 89 THR CA C 61.3 0.15 1 794 665 89 THR CB C 71.0 0.15 1 795 665 89 THR CG2 C 21.1 0.15 1 796 665 89 THR N N 111.2 0.15 1 797 666 90 ARG H H 8.36 0.02 1 798 666 90 ARG HA H 4.47 0.04 1 799 666 90 ARG HB2 H 1.84 0.06 2 800 666 90 ARG HB3 H 1.86 0.02 2 801 666 90 ARG HG2 H 1.74 0.02 2 802 666 90 ARG HG3 H 1.74 0.02 2 803 666 90 ARG HD2 H 3.19 0.02 2 804 666 90 ARG HD3 H 3.21 0.02 2 805 666 90 ARG CA C 55.9 0.15 1 806 666 90 ARG CB C 29.7 0.15 1 807 666 90 ARG N N 122.3 0.15 1 808 667 91 GLY H H 8.12 0.02 1 809 667 91 GLY HA2 H 4.05 0.13 2 810 667 91 GLY HA3 H 3.94 0.02 2 811 667 91 GLY C C 173.3 0.15 1 812 667 91 GLY CA C 45.1 0.15 1 813 667 91 GLY N N 108.7 0.15 1 814 668 92 ARG H H 8.30 0.02 1 815 668 92 ARG HA H 4.35 0.02 1 816 668 92 ARG HB2 H 1.89 0.02 2 817 668 92 ARG HB3 H 2.12 0.02 2 818 668 92 ARG HG3 H 1.78 0.02 2 819 668 92 ARG HD2 H 3.18 0.02 2 820 668 92 ARG HD3 H 3.20 0.02 2 821 668 92 ARG C C 172.8 0.15 1 822 668 92 ARG CA C 55.9 0.22 1 823 668 92 ARG CB C 29.9 0.15 1 824 668 92 ARG CG C 27.8 0.15 1 825 668 92 ARG CD C 43.4 0.15 1 826 668 92 ARG N N 119.3 0.15 1 827 672 96 SER H H 8.38 0.02 1 828 672 96 SER HA H 4.79 0.02 1 829 672 96 SER HB2 H 4.00 0.02 2 830 672 96 SER HB3 H 4.00 0.02 2 831 672 96 SER C C 172.4 0.15 1 832 672 96 SER CA C 57.5 0.15 1 833 672 96 SER CB C 65.0 0.15 1 834 672 96 SER N N 114.0 0.15 1 835 673 97 VAL H H 8.96 0.02 1 836 673 97 VAL HA H 4.91 0.02 1 837 673 97 VAL C C 173.8 0.15 1 838 673 97 VAL CA C 61.3 0.23 1 839 673 97 VAL CB C 34.4 0.15 1 840 673 97 VAL CG1 C 20.8 0.15 1 841 673 97 VAL CG2 C 20.6 0.15 1 842 673 97 VAL N N 121.6 0.15 1 843 674 98 ARG H H 8.76 0.02 1 844 674 98 ARG HA H 4.60 0.02 1 845 674 98 ARG HB2 H 1.26 0.02 2 846 674 98 ARG HB3 H 1.77 0.02 2 847 674 98 ARG HD2 H 2.67 0.02 2 848 674 98 ARG HD3 H 2.67 0.02 2 849 674 98 ARG C C 174.1 0.15 1 850 674 98 ARG CA C 53.2 0.15 1 851 674 98 ARG CB C 34.9 0.15 1 852 674 98 ARG CG C 25.9 0.15 1 853 674 98 ARG CD C 43.4 0.15 1 854 674 98 ARG N N 129.8 0.15 1 855 675 99 ALA H H 8.74 0.02 1 856 675 99 ALA HA H 4.13 0.02 1 857 675 99 ALA HB H 1.43 0.02 1 858 675 99 ALA C C 177.2 0.15 1 859 675 99 ALA CA C 53.0 0.15 1 860 675 99 ALA CB C 19.0 0.15 1 861 675 99 ALA N N 127.8 0.15 1 862 676 100 ASP H H 9.29 0.02 1 863 676 100 ASP HA H 4.71 0.02 1 864 676 100 ASP HB2 H 2.38 0.02 2 865 676 100 ASP HB3 H 2.40 0.02 2 866 676 100 ASP C C 176.5 0.15 1 867 676 100 ASP CA C 55.4 0.15 1 868 676 100 ASP CB C 41.4 0.15 1 869 676 100 ASP N N 126.8 0.15 1 870 677 101 THR H H 7.27 0.02 1 871 677 101 THR HA H 4.63 0.02 1 872 677 101 THR HB H 4.63 0.02 1 873 677 101 THR HG2 H 1.13 0.02 1 874 677 101 THR C C 173.8 0.15 1 875 677 101 THR CA C 59.5 0.23 1 876 677 101 THR CB C 73.5 0.15 1 877 677 101 THR CG2 C 20.2 0.15 1 878 677 101 THR N N 108.7 0.15 1 879 678 102 TYR H H 8.45 0.02 1 880 678 102 TYR HA H 4.75 0.02 1 881 678 102 TYR HB2 H 3.12 0.02 2 882 678 102 TYR HB3 H 2.92 0.02 2 883 678 102 TYR C C 177.9 0.15 1 884 678 102 TYR CA C 60.0 0.20 1 885 678 102 TYR CB C 38.4 0.15 1 886 678 102 TYR N N 119.6 0.15 1 887 679 103 CYS H H 8.78 0.02 1 888 679 103 CYS HA H 5.37 0.02 1 889 679 103 CYS HB2 H 2.62 0.02 2 890 679 103 CYS HB3 H 2.30 0.02 2 891 679 103 CYS C C 172.4 0.15 1 892 679 103 CYS CA C 58.8 0.17 1 893 679 103 CYS CB C 31.5 0.15 1 894 679 103 CYS N N 128.3 0.15 1 895 680 104 ARG H H 8.98 0.02 1 896 680 104 ARG HA H 4.44 0.06 1 897 680 104 ARG HB2 H 1.99 0.03 2 898 680 104 ARG HB3 H 1.99 0.02 2 899 680 104 ARG HG2 H 1.69 0.02 2 900 680 104 ARG HG3 H 1.69 0.02 2 901 680 104 ARG HD2 H 3.48 0.05 2 902 680 104 ARG HD3 H 3.48 0.02 2 903 680 104 ARG C C 174.1 0.15 1 904 680 104 ARG CA C 55.5 0.15 1 905 680 104 ARG CB C 32.9 0.15 1 906 680 104 ARG CG C 27.7 0.15 1 907 680 104 ARG CD C 44.2 0.19 1 908 680 104 ARG N N 121.6 0.15 1 909 681 105 LEU H H 8.95 0.02 1 910 681 105 LEU HA H 5.35 0.02 1 911 681 105 LEU HB2 H 1.66 0.02 2 912 681 105 LEU HB3 H 1.66 0.02 2 913 681 105 LEU HD1 H 0.74 0.03 2 914 681 105 LEU HD2 H 0.74 0.02 2 915 681 105 LEU C C 174.4 0.15 1 916 681 105 LEU CA C 52.9 0.16 1 917 681 105 LEU CB C 46.2 0.15 1 918 681 105 LEU CG C 27.0 0.15 1 919 681 105 LEU CD1 C 27.2 0.15 1 920 681 105 LEU N N 123.3 0.15 1 921 682 106 TYR H H 9.01 0.02 1 922 682 106 TYR HA H 5.67 0.02 1 923 682 106 TYR HB2 H 2.79 0.05 2 924 682 106 TYR HB3 H 2.81 0.03 2 925 682 106 TYR C C 175.7 0.15 1 926 682 106 TYR CA C 57.0 0.15 1 927 682 106 TYR CB C 42.7 0.15 1 928 682 106 TYR N N 115.6 0.15 1 929 683 107 SER H H 10.34 0.02 1 930 683 107 SER HA H 5.41 0.02 1 931 683 107 SER N N 118.6 0.15 1 932 684 108 LEU H H 8.06 0.02 1 933 684 108 LEU HA H 4.92 0.02 1 934 684 108 LEU HB2 H 1.58 0.02 2 935 684 108 LEU HB3 H 1.26 0.02 2 936 684 108 LEU HD1 H 0.91 0.02 2 937 684 108 LEU C C 174.8 0.15 1 938 684 108 LEU CA C 52.8 0.15 1 939 684 108 LEU CB C 46.3 0.15 1 940 684 108 LEU N N 120.4 0.15 1 941 685 109 SER H H 9.01 0.02 1 942 685 109 SER HA H 5.14 0.02 1 943 685 109 SER HB2 H 3.99 0.02 2 944 685 109 SER HB3 H 4.39 0.02 2 945 685 109 SER C C 175.2 0.15 1 946 685 109 SER CA C 56.0 0.15 1 947 685 109 SER CB C 65.4 0.15 1 948 685 109 SER N N 122.5 0.15 1 949 686 110 VAL H H 8.59 0.02 1 950 686 110 VAL HA H 3.67 0.02 1 951 686 110 VAL HG2 H 1.01 0.02 2 952 686 110 VAL C C 177.5 0.15 1 953 686 110 VAL CA C 66.1 0.19 1 954 686 110 VAL CB C 32.0 0.15 1 955 686 110 VAL CG1 C 20.7 0.15 1 956 686 110 VAL CG2 C 23.0 0.15 1 957 686 110 VAL N N 122.8 0.15 1 958 687 111 ASP H H 8.26 0.02 1 959 687 111 ASP HA H 4.51 0.02 1 960 687 111 ASP HB2 H 2.75 0.02 2 961 687 111 ASP HB3 H 2.47 0.02 2 962 687 111 ASP C C 179.0 0.15 1 963 687 111 ASP CA C 57.4 0.15 1 964 687 111 ASP CB C 40.2 0.15 1 965 687 111 ASP N N 118.5 0.15 1 966 688 112 ASN H H 7.89 0.02 1 967 688 112 ASN HA H 4.72 0.02 1 968 688 112 ASN HB2 H 2.95 0.02 2 969 688 112 ASN HB3 H 2.47 0.02 2 970 688 112 ASN C C 176.5 0.15 1 971 688 112 ASN CA C 56.0 0.15 1 972 688 112 ASN CB C 38.8 0.15 1 973 688 112 ASN N N 117.7 0.15 1 974 689 113 PHE H H 8.74 0.02 1 975 689 113 PHE HA H 4.18 0.02 1 976 689 113 PHE HB2 H 3.27 0.02 2 977 689 113 PHE HB3 H 3.00 0.02 2 978 689 113 PHE C C 176.7 0.15 1 979 689 113 PHE CA C 61.3 0.15 1 980 689 113 PHE CB C 39.8 0.15 1 981 689 113 PHE N N 121.8 0.15 1 982 690 114 ASN H H 8.63 0.02 1 983 690 114 ASN HA H 4.30 0.02 1 984 690 114 ASN HB2 H 2.98 0.02 2 985 690 114 ASN HB3 H 2.80 0.02 2 986 690 114 ASN C C 177.9 0.15 1 987 690 114 ASN CA C 56.3 0.15 1 988 690 114 ASN CB C 38.3 0.15 1 989 690 114 ASN N N 116.7 0.15 1 990 691 115 GLU H H 7.71 0.02 1 991 691 115 GLU HA H 4.04 0.02 1 992 691 115 GLU HB2 H 2.12 0.02 2 993 691 115 GLU HB3 H 2.38 0.02 2 994 691 115 GLU HG2 H 2.19 0.20 2 995 691 115 GLU HG3 H 2.50 0.02 2 996 691 115 GLU C C 179.4 0.15 1 997 691 115 GLU CA C 59.6 0.15 1 998 691 115 GLU CB C 29.8 0.15 1 999 691 115 GLU CG C 36.3 0.15 1 1000 691 115 GLU N N 120.1 0.15 1 1001 692 116 VAL H H 7.53 0.02 1 1002 692 116 VAL HA H 3.89 0.03 1 1003 692 116 VAL HB H 1.90 0.03 1 1004 692 116 VAL HG2 H 0.82 0.02 2 1005 692 116 VAL C C 178.8 0.15 1 1006 692 116 VAL CA C 65.8 0.17 1 1007 692 116 VAL CB C 31.5 0.15 1 1008 692 116 VAL CG1 C 23.1 0.15 1 1009 692 116 VAL N N 119.6 0.15 1 1010 693 117 LEU H H 8.10 0.12 1 1011 693 117 LEU HA H 4.05 0.06 1 1012 693 117 LEU HB2 H 1.38 0.02 2 1013 693 117 LEU HB3 H 1.41 0.02 2 1014 693 117 LEU HG H 1.61 0.02 1 1015 693 117 LEU HD1 H 0.62 0.03 2 1016 693 117 LEU HD2 H 0.62 0.02 2 1017 693 117 LEU C C 179.0 0.15 1 1018 693 117 LEU CA C 58.0 0.15 1 1019 693 117 LEU CB C 41.9 0.15 1 1020 693 117 LEU CD1 C 25.0 0.16 1 1021 693 117 LEU CD2 C 24.8 0.15 1 1022 693 117 LEU N N 119.9 0.15 1 1023 694 118 GLU H H 7.56 0.02 1 1024 694 118 GLU HA H 3.96 0.02 1 1025 694 118 GLU HB2 H 2.09 0.02 2 1026 694 118 GLU HB3 H 2.07 0.02 2 1027 694 118 GLU HG2 H 2.36 0.02 2 1028 694 118 GLU HG3 H 2.36 0.02 2 1029 694 118 GLU C C 178.1 0.15 1 1030 694 118 GLU CA C 58.8 0.15 1 1031 694 118 GLU CB C 29.7 0.15 1 1032 694 118 GLU CG C 36.2 0.16 1 1033 694 118 GLU N N 116.7 0.15 1 1034 695 119 GLU H H 7.39 0.02 1 1035 695 119 GLU HA H 4.05 0.02 1 1036 695 119 GLU HB2 H 1.94 0.02 2 1037 695 119 GLU HB3 H 2.16 0.02 2 1038 695 119 GLU HG2 H 2.26 0.02 2 1039 695 119 GLU HG3 H 2.04 0.02 2 1040 695 119 GLU C C 175.5 0.15 1 1041 695 119 GLU CA C 56.9 0.15 1 1042 695 119 GLU CB C 30.6 0.19 1 1043 695 119 GLU CG C 36.3 0.15 1 1044 695 119 GLU N N 116.1 0.15 1 1045 696 120 TYR H H 7.54 0.02 1 1046 696 120 TYR CA C 56.1 0.15 1 1047 696 120 TYR CB C 39.6 0.15 1 1048 696 120 TYR N N 116.8 0.15 1 1049 697 121 PRO HA H 4.40 0.02 1 1050 697 121 PRO HB2 H 1.97 0.02 2 1051 697 121 PRO HB3 H 2.36 0.02 2 1052 697 121 PRO HG2 H 2.01 0.02 2 1053 697 121 PRO HG3 H 1.99 0.02 2 1054 697 121 PRO HD2 H 3.63 0.02 2 1055 697 121 PRO HD3 H 3.28 0.02 2 1056 697 121 PRO C C 179.7 0.15 1 1057 697 121 PRO CA C 65.1 0.15 1 1058 697 121 PRO CB C 31.9 0.15 1 1059 697 121 PRO CG C 27.4 0.15 1 1060 697 121 PRO CD C 50.4 0.15 1 1061 698 122 MET H H 8.91 0.02 1 1062 698 122 MET HA H 4.38 0.02 1 1063 698 122 MET HB2 H 2.12 0.02 2 1064 698 122 MET HB3 H 2.14 0.02 2 1065 698 122 MET HG3 H 2.66 0.02 2 1066 698 122 MET C C 179.3 0.15 1 1067 698 122 MET CA C 57.7 0.15 1 1068 698 122 MET CB C 30.9 0.15 1 1069 698 122 MET N N 116.8 0.15 1 1070 699 123 MET H H 7.91 0.02 1 1071 699 123 MET HA H 4.36 0.02 1 1072 699 123 MET HB2 H 1.29 0.02 2 1073 699 123 MET HB3 H 2.15 0.02 2 1074 699 123 MET HG2 H 1.68 0.02 2 1075 699 123 MET HG3 H 2.15 0.02 2 1076 699 123 MET C C 177.2 0.15 1 1077 699 123 MET CA C 54.9 0.15 1 1078 699 123 MET CB C 30.8 0.15 1 1079 699 123 MET N N 118.5 0.15 1 1080 700 124 ARG H H 7.60 0.02 1 1081 700 124 ARG HA H 3.85 0.02 1 1082 700 124 ARG HB2 H 1.89 0.02 2 1083 700 124 ARG HB3 H 1.91 0.02 2 1084 700 124 ARG HG2 H 1.78 0.02 2 1085 700 124 ARG HG3 H 1.78 0.02 2 1086 700 124 ARG HD2 H 3.18 0.02 2 1087 700 124 ARG HD3 H 3.20 0.02 2 1088 700 124 ARG C C 178.1 0.15 1 1089 700 124 ARG CA C 60.2 0.15 1 1090 700 124 ARG CB C 29.8 0.15 1 1091 700 124 ARG CG C 27.8 0.15 1 1092 700 124 ARG CD C 43.4 0.15 1 1093 700 124 ARG N N 119.4 0.15 1 1094 701 125 ARG H H 7.62 0.02 1 1095 701 125 ARG HA H 4.12 0.02 1 1096 701 125 ARG HB2 H 1.83 0.02 2 1097 701 125 ARG HB3 H 1.85 0.02 2 1098 701 125 ARG HG2 H 1.76 0.02 2 1099 701 125 ARG HG3 H 1.76 0.02 2 1100 701 125 ARG HD2 H 3.18 0.02 2 1101 701 125 ARG HD3 H 3.20 0.02 2 1102 701 125 ARG C C 177.8 0.15 1 1103 701 125 ARG CA C 58.1 0.19 1 1104 701 125 ARG CB C 29.9 0.15 1 1105 701 125 ARG CG C 26.8 0.15 1 1106 701 125 ARG CD C 43.4 0.15 1 1107 701 125 ARG N N 116.1 0.15 1 1108 702 126 ALA H H 7.35 0.02 1 1109 702 126 ALA HA H 4.08 0.02 1 1110 702 126 ALA HB H 1.21 0.02 1 1111 702 126 ALA C C 178.8 0.15 1 1112 702 126 ALA CA C 54.1 0.15 1 1113 702 126 ALA CB C 18.2 0.15 1 1114 702 126 ALA N N 121.1 0.15 1 1115 703 127 PHE H H 7.64 0.02 1 1116 703 127 PHE HA H 4.63 0.02 1 1117 703 127 PHE HB2 H 3.00 0.02 2 1118 703 127 PHE HB3 H 3.39 0.02 2 1119 703 127 PHE C C 176.2 0.15 1 1120 703 127 PHE CA C 57.6 0.15 1 1121 703 127 PHE CB C 39.2 0.15 1 1122 703 127 PHE N N 115.7 0.15 1 1123 704 128 GLU H H 7.79 0.02 1 1124 704 128 GLU HA H 4.30 0.02 1 1125 704 128 GLU HB2 H 2.07 0.03 2 1126 704 128 GLU HB3 H 2.05 0.17 2 1127 704 128 GLU HG2 H 2.02 0.04 2 1128 704 128 GLU HG3 H 2.36 0.02 2 1129 704 128 GLU C C 176.7 0.15 1 1130 704 128 GLU CA C 57.3 0.15 1 1131 704 128 GLU CB C 30.5 0.15 1 1132 704 128 GLU CG C 36.4 0.15 1 1133 704 128 GLU N N 119.3 0.15 1 1134 705 129 THR H H 7.88 0.02 1 1135 705 129 THR HA H 4.26 0.02 1 1136 705 129 THR HB H 3.93 0.02 1 1137 705 129 THR HG2 H 1.19 0.02 1 1138 705 129 THR C C 174.3 0.15 1 1139 705 129 THR CA C 62.1 0.15 1 1140 705 129 THR CB C 69.9 0.15 1 1141 705 129 THR CG2 C 21.5 0.15 1 1142 705 129 THR N N 113.6 0.15 1 1143 706 130 VAL H H 7.92 0.02 1 1144 706 130 VAL HA H 4.13 0.02 1 1145 706 130 VAL HB H 2.10 0.04 1 1146 706 130 VAL HG1 H 0.91 0.02 2 1147 706 130 VAL HG2 H 0.91 0.03 2 1148 706 130 VAL C C 174.7 0.15 1 1149 706 130 VAL CA C 62.4 0.18 1 1150 706 130 VAL CB C 32.8 0.16 1 1151 706 130 VAL CG1 C 21.0 0.19 1 1152 706 130 VAL CG2 C 20.8 0.15 1 1153 706 130 VAL N N 122.4 0.15 1 1154 707 131 ALA H H 7.86 0.02 1 1155 707 131 ALA N N 133.1 0.15 1 stop_ save_